new file: a/ANSYS/ANSYS-22.2-intel-2020b.eb

new file: f/FFTW/FFTW-3.3.10-gompi-2021b-amd.eb new file: h/HyperQueue/HyperQueue-0.13.0.eb new file: o/OVITO/OVITO-3.7.11-GCCcore-11.3.0-pro.eb new file: t/Tensorflow/TensorFlow-2.10.0-fosscuda-2020b.eb new file: v/VASP/VASP-6.3.2-foss-2021b.eb new file: w/Wannier90/Wannier90-3.1.0-foss-2021b-serial.eb deleted: v/VASP/VASP-6.3.1-foss-2022a.eb
2025-04-07 15:32:11 +01:00 · 2022-11-10 15:50:45 +01:00 · 2022-11-10 15:50:45 +01:00 · 5c44c32106
commit 5c44c32106
parent f75be2e32e
7 changed files with 392 additions and 5 deletions
--- a/a/ANSYS/ANSYS-22.2-intel-2020b.eb
+++ b/a/ANSYS/ANSYS-22.2-intel-2020b.eb
@ -0,0 +1,28 @@
+# IT4Innovations
+# LK JK 2022
+
+name = 'ANSYS'
+version = '22.2'
+
+homepage = 'http://www.ansys.com'
+description = """ANSYS simulation software enables organizations to confidently predict
+    how their products will operate in the real world. We believe that every product is
+    a promise of something greater. """
+
+toolchain = {'name': 'intel', 'version': '2020b'}
+
+# create a zip file from the 3 install iso files.
+# make sure all files of the iso's are in the same directory.
+sources = ['ANSYS-22.2.tar.gz']
+checksums = ['51bf1ef35347b00d61675911095c0d65c1571d8d30782c14e320ec545e9cf0a7']
+
+dependencies = [
+   ('libGLU', '9.0.1'),
+   ('libnsl', '1.3.0'),
+]
+
+import os
+license_server = os.getenv('EB_ANSYS_LICENSE_SERVER', '10.5.8.13')
+license_server_port = os.getenv('EB_ANSYS_LICENSE_SERVER_PORT', '2325:1055')
+
+moduleclass = 'tools'
--- a/f/FFTW/FFTW-3.3.10-gompi-2021b-amd.eb
+++ b/f/FFTW/FFTW-3.3.10-gompi-2021b-amd.eb
@ -0,0 +1,26 @@
+name = 'FFTW'
+version = '3.3.10'
+local_amd_fftw_ver = '3.2'
+versionsuffix = '-amd'
+
+homepage = 'https://developer.amd.com/amd-aocl/fftw/'
+description = """FFTW is a C subroutine library for computing the discrete Fourier transform (DFT)
+in one or more dimensions, of arbitrary input size, and of both real and complex data.
+AMD FFTW includes selective kernels and routines optimized for the AMD EPYC™ processor family."""
+
+toolchain = {'name': 'gompi', 'version': '2021b'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/amd/amd-fftw/archive/']
+sources = [{
+    'download_filename': '%s.tar.gz' % local_amd_fftw_ver,
+    'filename': 'amd-fftw-%s.tar.gz' % local_amd_fftw_ver,
+}]
+checksums = ['31cab17a93e03b5b606e88dd6116a1055b8f49542d7d0890dbfcca057087b8d0']
+
+configopts = '--enable-amd-opt'
+
+# asi selzou, kdyztak zakomentovat
+runtest = 'check'
+
+moduleclass = 'numlib'
--- a/h/HyperQueue/HyperQueue-0.13.0.eb
+++ b/h/HyperQueue/HyperQueue-0.13.0.eb
@ -0,0 +1,27 @@
+# IT4Innovations 2022
+# JK
+
+easyblock = 'PackedBinary'
+
+name = 'HyperQueue'
+version = '0.13.0'
+
+homepage = 'https://it4innovations.github.io/hyperqueue/'
+description = """HyperQueue lets you build a computation plan consisting of a large amount of tasks
+ and then execute it transparently over a system like SLURM/PBS. It dynamically groups jobs into SLURM/PBS jobs
+ and distributes them to fully utilize allocated notes.
+ You thus do not have to manually aggregate your tasks into SLURM/PBS jobs."""
+
+toolchain = SYSTEM
+
+source_urls = ['https://github.com/It4innovations/hyperqueue/releases/download/v%(version)s/']
+sources = ['hq-v%(version)s-linux-x64.tar.gz']
+checksums = ['4c3dac11cc01ef2a0c222099e484fd1b23ac52d8db234855ec1f0685543b4e0d']
+
+sanity_check_paths = {
+    'files': ['hq'],
+    'dirs': [],
+}
+
+
+moduleclass = 'devel'
--- a/o/OVITO/OVITO-3.7.11-GCCcore-11.3.0-pro.eb
+++ b/o/OVITO/OVITO-3.7.11-GCCcore-11.3.0-pro.eb
@ -0,0 +1,31 @@
+# IT4Innovations 2022
+# JK LK
+
+easyblock = 'Tarball'
+
+name = 'OVITO'
+version = '3.7.11'
+versionsuffix = '-pro'
+
+homepage = 'https://www.ovito.org/'
+description = """OVITO is a scientific visualization and analysis software for atomistic and particle simulation data."""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'} 
+
+sources = ['ovito-pro-%(version)s-x86_64.tar.xz']
+checksums = ['b8b807fbe7832c8bcce9a70d81cdce8d4840090491211eeb4a28f25e944d9280']
+
+dependencies = [
+    ('Qt5', '5.15.5'),
+]
+
+sanity_check_paths = {
+    'files': ['bin/ovito'],
+    'dirs': [],
+}
+
+modextravars = {
+    'OVITO_LICENSING_VERBOSE': '1',
+}
+
+moduleclass = 'vis'
--- a/t/Tensorflow/TensorFlow-2.10.0-fosscuda-2020b.eb
+++ b/t/Tensorflow/TensorFlow-2.10.0-fosscuda-2020b.eb
@ -0,0 +1,233 @@
+easyblock = 'PythonBundle'
+
+name = 'TensorFlow'
+version = '2.10.0'
+
+homepage = 'https://www.tensorflow.org/'
+description = "An open-source software library for Machine Intelligence"
+
+toolchain = {'name': 'fosscuda', 'version': '2020b'}
+toolchainopts = {'pic': True}
+
+builddependencies = [
+    ('Bazel', '3.7.2'),
+    ('protobuf', '3.14.0'),
+    # git 2.x required, see also https://github.com/tensorflow/tensorflow/issues/29053
+    ('git', '2.28.0', '-nodocs'),
+    ('pybind11', '2.6.0'),
+    ('pkgconfig', '1.5.1', '-python'),  # For h5py
+    ('UnZip', '6.0'),
+]
+dependencies = [
+    ('cuDNN', '8.0.4.30', '-CUDA-%(cudaver)s', True),
+    ('NCCL', '2.8.3', '-CUDA-%(cudaver)s'),
+    ('Python', '3.8.6'),
+    ('h5py', '3.1.0'),
+    ('cURL', '7.72.0'),
+    ('double-conversion', '3.1.5'),
+    ('flatbuffers', '1.12.0'),
+    ('giflib', '5.2.1'),
+    ('hwloc', '2.2.0'),
+    ('ICU', '67.1'),
+    ('JsonCpp', '1.9.4'),
+    ('libjpeg-turbo', '2.0.5'),
+    ('LMDB', '0.9.24'),
+    ('NASM', '2.15.05'),
+    ('nsync', '1.24.0'),
+    ('SQLite', '3.33.0'),
+    ('PCRE', '8.44'),
+    ('protobuf-python', '3.14.0'),
+    ('flatbuffers-python', '1.12'),
+    ('typing-extensions', '3.7.4.3'),
+    ('libpng', '1.6.37'),
+    ('snappy', '1.1.8'),
+    ('zlib', '1.2.11'),
+]
+
+use_pip = True
+sanity_pip_check = True
+# Dependencies created and updated using findPythonDeps.sh:
+# https://gist.github.com/Flamefire/49426e502cd8983757bd01a08a10ae0d
+exts_list = [
+    ('Markdown', '3.3.4', {
+        'checksums': ['31b5b491868dcc87d6c24b7e3d19a0d730d59d3e46f4eea6430a321bed387a49'],
+    }),
+    ('pyasn1-modules', '0.2.8', {
+        'checksums': ['905f84c712230b2c592c19470d3ca8d552de726050d1d1716282a1f6146be65e'],
+    }),
+    ('rsa', '4.7.2', {
+        'checksums': ['9d689e6ca1b3038bc82bf8d23e944b6b6037bc02301a574935b2dd946e0353b9'],
+    }),
+    ('cachetools', '4.2.2', {
+        'checksums': ['61b5ed1e22a0924aed1d23b478f37e8d52549ff8a961de2909c69bf950020cff'],
+    }),
+    ('google-auth', '1.30.0', {
+        'modulename': 'google.auth',
+        'checksums': ['9ad25fba07f46a628ad4d0ca09f38dcb262830df2ac95b217f9b0129c9e42206'],
+    }),
+    ('oauthlib', '3.1.0', {
+        'checksums': ['bee41cc35fcca6e988463cacc3bcb8a96224f470ca547e697b604cc697b2f889'],
+    }),
+    ('requests-oauthlib', '1.3.0', {
+        'checksums': ['b4261601a71fd721a8bd6d7aa1cc1d6a8a93b4a9f5e96626f8e4d91e8beeaa6a'],
+    }),
+    ('google-auth-oauthlib', '0.4.4', {
+        'checksums': ['09832c6e75032f93818edf1affe4746121d640c625a5bef9b5c96af676e98eee'],
+    }),
+    ('Werkzeug', '2.0.0', {
+        'checksums': ['3389bbfe6d40c6dd25e6d3f974155163c8b3de5bbda6a89342d4ab93fae80ba0'],
+    }),
+    ('absl-py', '0.12.0', {
+        'modulename': 'absl',
+        'checksums': ['b44f68984a5ceb2607d135a615999b93924c771238a63920d17d3387b0d229d5'],
+    }),
+    ('astunparse', '1.6.3', {
+        'checksums': ['5ad93a8456f0d084c3456d059fd9a92cce667963232cbf763eac3bc5b7940872'],
+    }),
+    ('grpcio', '1.34.1', {
+        'modulename': 'grpc',
+        'checksums': ['1c746a3cd8a830d8d916a9d0476a786aaa98c5cc2a096344af2be955e439f8ac'],
+        'preinstallopts': "export GRPC_PYTHON_BUILD_EXT_COMPILER_JOBS=%(parallel)s && ",
+    }),
+    ('gviz-api', '1.9.0', {
+        'source_tmpl': 'gviz_api-%(version)s.tar.gz',
+        'checksums': ['43d13ccc21834d0501b33a291ef3265e933dbb4bbdca3d34b1ed0a048c0ef640'],
+    }),
+    ('tensorboard_data_server', '0.6.1', {
+        'source_tmpl': SOURCE_PY3_WHL,  # Requires Rust to build, take the dummy for now
+        'checksums': ['809fe9887682d35c1f7d1f54f0f40f98bb1f771b14265b453ca051e2ce58fca7'],
+    }),
+    ('tensorboard', version, {
+        'source_tmpl': SOURCE_PY3_WHL,
+        'checksums': ['e167460085b6528956b33bab1c970c989cdce47a6616273880733f5e7bde452e'],
+    }),
+    ('tensorboard_plugin_wit', '1.8.0', {
+        'source_tmpl': SOURCE_PY3_WHL,
+        'checksums': ['2a80d1c551d741e99b2f197bb915d8a133e24adb8da1732b840041860f91183a'],
+    }),
+    ('tensorboard_plugin_profile', '2.4.0', {
+        'checksums': ['dfbf254ee960440e3b2518324f876a6d6704c60b936887d99214fa36988a206a'],
+    }),
+    ('google-pasta', '0.2.0', {
+        'modulename': 'pasta',
+        'checksums': ['c9f2c8dfc8f96d0d5808299920721be30c9eec37f2389f28904f454565c8a16e'],
+    }),
+    ('termcolor', '1.1.0', {
+        'checksums': ['1d6d69ce66211143803fbc56652b41d73b4a400a2891d7bf7a1cdf4c02de613b'],
+    }),
+    ('tensorflow_estimator', version, {
+        'source_tmpl': SOURCE_WHL,
+        'checksums': ['d1fe76dee8b1dcab865d807a0246da0a9c4a635b1eba6e9545bf216c3aad6955'],
+    }),
+    ('astor', '0.8.1', {
+        'checksums': ['6a6effda93f4e1ce9f618779b2dd1d9d84f1e32812c23a29b3fff6fd7f63fa5e'],
+    }),
+    ('gast', '0.4.0', {
+        'checksums': ['40feb7b8b8434785585ab224d1568b857edb18297e5a3047f1ba012bc83b42c1'],
+    }),
+    ('opt_einsum', '3.3.0', {
+        'checksums': ['59f6475f77bbc37dcf7cd748519c0ec60722e91e63ca114e68821c0c54a46549'],
+    }),
+    ('wrapt', '1.12.1', {
+        'checksums': ['b62ffa81fb85f4332a4f609cab4ac40709470da05643a082ec1eb88e6d9b97d7'],
+    }),
+    ('Keras_Preprocessing', '1.1.2', {
+        'checksums': ['add82567c50c8bc648c14195bf544a5ce7c1f76761536956c3d2978970179ef3'],
+    }),
+    ('dill', '0.3.4', {
+        'source_tmpl': '%(name)s-%(version)s.zip',
+        'checksums': ['9f9734205146b2b353ab3fec9af0070237b6ddae78452af83d2fca84d739e675'],
+    }),
+    ('tblib', '1.7.0', {
+        'checksums': ['059bd77306ea7b419d4f76016aef6d7027cc8a0785579b5aad198803435f882c'],
+    }),
+    ('portpicker', '1.3.1', {
+        'checksums': ['d2cdc776873635ed421315c4d22e63280042456bbfa07397817e687b142b9667'],
+    }),
+    ('keras_nightly', '2.5.0.dev2021032900', {
+        'modulename': 'keras',
+        'source_tmpl': SOURCE_WHL,
+        'checksums': ['6ba70f738f4008222de7e7fdd5b2b18c48c49b897a9fca54c844854e25964011'],
+    }),
+    (name, version, {
+        'source_tmpl': 'v%(version)s.tar.gz',
+        'source_urls': ['https://github.com/tensorflow/tensorflow/archive/'],
+        'patches': [
+            'TensorFlow-2.1.0_fix-cuda-build.patch',
+            'TensorFlow-2.4.0_add-ldl.patch',
+            'TensorFlow-2.4.0_dont-use-var-lock.patch',
+            'TensorFlow-2.4.1_fix-min-priority-test.patch',
+            'TensorFlow-2.5.0_add-default-shell-env.patch',
+            'TensorFlow-2.5.0_add-protobuf-deps.patch',
+            'TensorFlow-2.5.0_add-support-for-large-core-systems.patch',
+            'TensorFlow-2.5.0_disable-avx512-extensions.patch',
+            'TensorFlow-2.5.0-fix-alias-violation-in-absl.patch',
+            'TensorFlow-2.5.0_fix-alignment-in-matmul-test.patch',
+            'TensorFlow-2.5.0_fix-arm-vector-intrinsics.patch',
+            'TensorFlow-2.5.0_fix-crash-on-shutdown.patch',
+            'TensorFlow-2.5.0_remove-duplicate-gpu-tests.patch',
+        ],
+        'checksums': [
+            '233875ea27fc357f6b714b2a0de5f6ff124b50c1ee9b3b41f9e726e9e677b86c',  # v2.5.0.tar.gz
+            '78c20aeaa7784b8ceb46238a81e8c2461137d28e0b576deeba8357d23fbe1f5a',  # TensorFlow-2.1.0_fix-cuda-build.patch
+            '917ee7282e782e48673596d8917c3207e60e0851bb9acf230a2a439b067af2e3',  # TensorFlow-2.4.0_add-ldl.patch
+            # TensorFlow-2.4.0_dont-use-var-lock.patch
+            'b14f2493fd2edf79abd1c4f2dde6c98a3e7d5cb9c25ab9386df874d5f072d6b5',
+            # TensorFlow-2.4.1_fix-min-priority-test.patch
+            '389febce9a0612fd457daf4cb18c02f77fc7311bacae0963602a3198d9f2737f',
+            # TensorFlow-2.5.0_add-default-shell-env.patch
+            '09b0c5d4ff04f56a9657875471ed78001d4201cac795aeff62019d582115b468',
+            # TensorFlow-2.5.0_add-protobuf-deps.patch
+            '2aa79b89cff13e81f83e385761917d5d6dbdffd6b0366d90580761b958f14363',
+            # TensorFlow-2.5.0_add-support-for-large-core-systems.patch
+            '915f3477d6407fafd48269fe1e684a05ce361d9b9b85e58686682df87760f636',
+            # TensorFlow-2.5.0_disable-avx512-extensions.patch
+            '3655ce24c97569ac9738c07cac85347ba6f5c815ada95b19b606ffa46d4dda03',
+            # TensorFlow-2.5.0-fix-alias-violation-in-absl.patch
+            '12454fda3330fb45cd380377e283f04488b40e0b8ae7378e786ddf731a581f75',
+            # TensorFlow-2.5.0_fix-alignment-in-matmul-test.patch
+            '6a4d6cbf45a622b8a2c3ea0b1c0171f01f595684d9c57d415bb39b1b27e1180f',
+            # TensorFlow-2.5.0_fix-arm-vector-intrinsics.patch
+            '6abfadc0f67ff3b510d70430843201cb46d7bd65db045ec9b482af70e0c8c0c8',
+            # TensorFlow-2.5.0_fix-crash-on-shutdown.patch
+            '578c7493221ebd3dc25ca43d63a72cbb28fdf4112b1e2baa7390f25781bd78fd',
+            # TensorFlow-2.5.0_remove-duplicate-gpu-tests.patch
+            'b940d438e036faac24453bff2cf1834c5e1359e87e84d1f1999fa7a30b278fec',
+        ],
+        'test_script': 'TensorFlow-2.x_mnist-test.py',
+        'test_tag_filters_cpu': '-gpu,-tpu,-no_cuda_on_cpu_tap,-no_pip,-no_oss,-oss_serial,-benchmark-test,-v1only',
+        'test_tag_filters_gpu': ('gpu,-no_gpu,-nogpu,-gpu_cupti,-no_cuda11,-no_pip,-no_oss,-oss_serial,'
+                                 '-benchmark-test,-v1only'),
+        'test_targets': [
+            '//tensorflow/core/...',
+            '-//tensorflow/core:example_java_proto',
+            '-//tensorflow/core/example:example_protos_closure',
+            '//tensorflow/cc/...',
+            '//tensorflow/c/...',
+            '//tensorflow/python/...',
+            # Fails on some nodes but C API isn't installed anyway
+            '-//tensorflow/c/eager:c_api_test_gpu',
+            '-//tensorflow/c/eager:c_api_distributed_test',
+            '-//tensorflow/c/eager:c_api_distributed_test_gpu',
+            # Race condition with port picker: https://github.com/tensorflow/tensorflow/issues/46602
+            '-//tensorflow/c/eager:c_api_cluster_test_gpu',
+            '-//tensorflow/c/eager:c_api_remote_function_test_gpu',
+            '-//tensorflow/c/eager:c_api_remote_test_gpu',
+            # Fails to open its own test.xml(?)
+            '-//tensorflow/core/common_runtime:collective_param_resolver_local_test',
+            # Fails on non-AVX-512 systems: https://github.com/tensorflow/tensorflow/issues/46532
+            '-//tensorflow/core/common_runtime:mkl_layout_pass_test',
+            '-//tensorflow/core/kernels/mkl:mkl_fused_ops_test',
+            # Fails on AMD EPYC systems: https://github.com/tensorflow/tensorflow/issues/52151
+            '-//tensorflow/core/kernels/mkl:mkl_fused_batch_norm_op_test',
+        ],
+        'testopts': "--test_timeout=3600 --test_size_filters=small",
+        'testopts_gpu': "--test_timeout=3600 --test_size_filters=small " +
+                        "--run_under=//tensorflow/tools/ci_build/gpu_build:parallel_gpu_execute",
+        'with_xla': True,
+    }),
+]
+
+cuda_compute_capabilities = ['8.0']
+
+moduleclass = 'lib'
--- a/v/VASP/VASP-6.3.2-foss-2021b.eb
+++ b/v/VASP/VASP-6.3.2-foss-2021b.eb
@ -4,7 +4,7 @@
 easyblock = 'MakeCp'

 name = 'VASP'
-version = '6.3.1'
+version = '6.3.2'

 homepage = 'http://www.vasp.at'
 description = """The Vienna Ab initio Simulation Package (VASP) is a local computer program for atomic scale
@ -15,19 +15,20 @@ To use VASP, you need an academic license from University of Vienna. Follow the

 Please send us a list of authorized users and their IDs for which you need access (use only http://support.it4i.cz/rt). We are responsible for verifying your licenses."""

-toolchain = {'name': 'foss', 'version': '2022a'}
+toolchain = {'name': 'foss', 'version': '2021b'}
 toolchainopts = {'pic': True, 'usempi': True}

 # Vasp is proprietary software, see http://www.vasp.at/index.php/faqs on
 # how to get access to the code
 sources = ['%(namelower)s.%(version)s.tgz']
-checksums = ['113db53c4346287c89982f52887a65d12d246e38de7ccd024e44499c4774dc66']
+checksums = ['f7595221b0f9236a324ea8afe170637a578cdd5a837cc7679e7f7812f6edf25a']

 # use serial compilation of W90, see https://www.vasp.at/wiki/index.php/Makefile.include#Wannier90_.28optional.29
 # Important: In case of Wannier90 3.x, you should compile a serial version by removing COMMS=mpi in the make.inc of Wannier90. 
 dependencies = [
-    ('HDF5', '1.13.1'),
+    ('HDF5', '1.12.1'),
    ('Wannier90', '3.1.0', '-serial'),
+    ('FFTW', '3.3.10', '-amd'),
 ]

 prebuildopts = 'cp arch/makefile.include.gnu ./makefile.include && '
@ -38,7 +39,7 @@ prebuildopts += 'sed -i "s|\(OFLAG\s\+=\) -O2|\\1 -O3 -march=native|" makefile.i
 # FFLAGS, SCALAPACK and FFTW
 prebuildopts += 'sed -i "s|\(FFLAGS\s\+=\) -w -ffpe-summary=none|\\1 -FR -ffpe-summary=none|" makefile.include && '
 prebuildopts += 'sed -i "s|\(SCALAPACK_ROOT\s\+?=\) /path/to/your/scalapack/installation|\\1 ${EBROOTSCALAPACK}|" makefile.include && '
-prebuildopts += 'sed -i "s|\(FFTW_ROOT\s\+?=\) /path/to/your/fftw/installation|\\1 ${EBROOTFFTWMPI}|" makefile.include && '
+prebuildopts += 'sed -i "s|\(FFTW_ROOT\s\+?=\) /path/to/your/fftw/installation|\\1 ${EBROOTFFTW}|" makefile.include && '

 # FLexiBLAS shadows OpenBLAS, for more info see FlexiBLAS description
 prebuildopts += 'sed -i "s|\(OPENBLAS_ROOT\s\+?=\) /path/to/your/openblas/installation|\\1 ${EBROOTFLEXIBLAS}|" makefile.include && '
--- a/w/Wannier90/Wannier90-3.1.0-foss-2021b-serial.eb
+++ b/w/Wannier90/Wannier90-3.1.0-foss-2021b-serial.eb
@ -0,0 +1,41 @@
+# IT4Innovations 2022
+# JK
+
+easyblock = 'MakeCp'
+
+name = 'Wannier90'
+version = '3.1.0'
+versionsuffix = '-serial'
+
+homepage = 'http://www.wannier.org'
+description = """A tool for obtaining maximally-localised Wannier functions"""
+
+toolchain = {'name': 'foss', 'version': '2021b'}
+toolchainopts = {'usempi': True}
+
+github_account = 'wannier-developers'
+source_urls = [GITHUB_LOWER_SOURCE]
+sources = [{'download_filename': 'v%(version)s.tar.gz', 'filename': SOURCELOWER_TAR_GZ}]
+patches = ['Wannier90_3x_ignore_makeinc.patch']
+checksums = [
+    '40651a9832eb93dec20a8360dd535262c261c34e13c41b6755fa6915c936b254',  # wannier90-3.1.0.tar.gz
+    '561c0d296e0e30b8bb303702cd6e41ded54c153d9b9e6cd9cab73858e5e2945e',  # Wannier90_3x_ignore_makeinc.patch
+]
+
+dependencies = [('FFTW', '3.3.10', '-amd')]
+
+buildopts = 'all F90=$F90 MPIF90=$MPIF90 FCOPTS="$FFLAGS" LDOPTS="$FFLAGS" '
+buildopts += 'LIBDIR="$LAPACK_LIB_DIR" LIBS="$LIBLAPACK" '
+
+# compile serial version for use with VASP per
+# https://www.vasp.at/wiki/index.php/Makefile.include#Wannier90_.28optional.29
+#buildopts += 'COMMS=mpi'
+
+files_to_copy = [(['wannier90.x', 'postw90.x'], 'bin'), (['libwannier.a'], 'lib')]
+
+sanity_check_paths = {
+    'files': ['bin/wannier90.x', 'bin/postw90.x', 'lib/libwannier.a'],
+    'dirs': []
+}
+
+moduleclass = 'chem'